rel-(8aR,12aS)-N-[(4-methoxyphenyl)methyl]-8-oxododecahydro-1,7-benzodiazecine-1(2H)-carboxamide
Chemical Structure Depiction of
rel-(8aR,12aS)-N-[(4-methoxyphenyl)methyl]-8-oxododecahydro-1,7-benzodiazecine-1(2H)-carboxamide
rel-(8aR,12aS)-N-[(4-methoxyphenyl)methyl]-8-oxododecahydro-1,7-benzodiazecine-1(2H)-carboxamide
Compound characteristics
| Compound ID: | S780-0270 |
| Compound Name: | rel-(8aR,12aS)-N-[(4-methoxyphenyl)methyl]-8-oxododecahydro-1,7-benzodiazecine-1(2H)-carboxamide |
| Molecular Weight: | 373.49 |
| Molecular Formula: | C21 H31 N3 O3 |
| Smiles: | COc1ccc(CNC(N2CCCCCNC([C@@H]3CCCC[C@H]23)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3435 |
| logD: | 2.3435 |
| logSw: | -2.7835 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.195 |
| InChI Key: | CQUDDVXYMWZZFU-MOPGFXCFSA-N |